3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea

C17H25N3O — CID 129065693

IUPAC3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea
SMILESC/C=C\C=C(/Cc1cccc(NC(=O)N(C)C)c1)N(C)C
InChIInChI=1S/C17H25N3O/c1-6-7-11-16(19(2)3)13-14-9-8-10-15(12-14)18-17(21)20(4)5/h6-12H,13H2,1-5H3,(H,18,21)/b7-6-,16-11+
InChIKeyZARIMVWIYZIWNW-HWEBNEHYSA-N
MW287.41 g/mol
LogP3.34
Rot. Bonds5

About 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea

3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea (PubChem CID 129065693) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea
PubChem CID129065693
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea
SMILESC/C=C\C=C(/Cc1cccc(NC(=O)N(C)C)c1)N(C)C
InChIInChI=1S/C17H25N3O/c1-6-7-11-16(19(2)3)13-14-9-8-10-15(12-14)18-17(21)20(4)5/h6-12H,13H2,1-5H3,(H,18,21)/b7-6-,16-11+
InChIKeyZARIMVWIYZIWNW-HWEBNEHYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
CID 75407731
2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide
CID 54255659
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
2-[3-(dimethylcarbamoylamino)phenyl]-N-(4-nitrophenyl)acetamide
CID 54274791
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
(2E,4E)-N-[3-(hydroxymethyl)phenyl]hexa-2,4-dienamide
CID 60638423
3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide
CID 56794238

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea (CID 129065693) is 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea is C/C=C\C=C(/Cc1cccc(NC(=O)N(C)C)c1)N(C)C.
What is the InChIKey of 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea?
The InChIKey is ZARIMVWIYZIWNW-HWEBNEHYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-7-11-16(19(2)3)13-14-9-8-10-15(12-14)18-17(21)20(4)5/h6-12H,13H2,1-5H3,(H,18,21)/b7-6-,16-11+.
What are the key properties of 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea?
3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea has a molecular weight of 287.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 129065693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).